SCHEMBL64475

SCHEMBL64475

CCC(=O)C(C)(C)NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
PRSS1 P07477 3/20 0.49
CTSG P08311 3/20 0.49
CTRB1 P17538 3/20 0.49
CMA1 P23946 3/20 0.49
CYP2C9 P11712 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12024471 0.83 PLK1 (0.56) POLBSMN1; SMN2GAANPC1CYP3A4
SCHEMBL343830 0.81 POLB (0.65) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL12024336 0.79 POLB (0.62) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL12024482 0.79 NPC1 (0.55) SMN1; SMN2GAANPC1RAB9ACES2
SCHEMBL18059036 0.78 SMN1; SMN2 (0.49) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL4516395 0.78 POLB (0.71) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL408310 0.77 CYP2C9 (0.67) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL24263392 0.76 POLB (1.00) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL12833048 0.76 POLB (0.73) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL12024474 0.76 POLB (0.54) POLBSMN1; SMN2GAANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
US-9802936-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2017-10-31 US disclosed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP disclosed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP disclosed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US disclosed
EP-1534658-A4 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2006-10-04 EP disclosed
EP-1534658-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-06-01 EP disclosed
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2004-03-11 US disclosed
WO-2004005478-A2 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC (US) 2004-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040049037-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 POLB 3823/4885PRSS1 3341/4885CTSG 4145/4885
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 POLB 3823/4885PRSS1 3341/4885CTSG 4145/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.